4-azido-6-nitro-1-oxidanylidene-2-(phenylmethyl)-1,2-benzothiazol-3-one

Systemtic Name: 4-azido-6-nitro-1-oxidanylidene-2-(phenylmethyl)-1,2-benzothiazol-3-one Openeye Name: 4-azido-2-benzyl-6-nitro-1-oxo-1,2-benzothiazol-3-one CAS Name: 4-azido-6-nitro-1-oxo-2-(phenylmethyl)-1,2-benzothiazol-3-one IUPAC Name: 4-azido-2-benzyl-6-nitro-1-oxo-1,2-benzothiazol-3-one Traditional Name: 4-azido-2-benzyl-1-keto-6-nitro-1,2-benzothiazol-3-one Formula: C14H9N5O4S MolecularWeight: 343.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)C=C(C=C3N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)C=C(C=C3N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O4S/c15-17-16-11-6-10(19(21)22)7-12-13(11)14(20)18(24(12)23)8-9-4-2-1-3-5-9/h1-7H,8H2